SCHEMBL1490932

SCHEMBL1490932

C=CC(O)C#Cc1ccc(N(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.39
ACACB O00763 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2A6 P11509 1/20 0.37
CYP2A13 Q16696 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
ADK P55263 2/20 0.33
SLC2A1 P11166 1/20 0.33
HPGD P15428 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1490629 0.76 APP (0.44) APPALDH1A1TSHRALOX15HSD17B10
SCHEMBL17616448 0.74 ALDH1A1 (0.48) APPACACBALDH1A1TSHRALOX15
SCHEMBL10300053 0.72 ALDH1A1 (0.65) APPACACBALDH1A1TSHRALOX15
SCHEMBL770159 0.72 ALDH1A1 (0.65) APPACACBALDH1A1TSHRALOX15
SCHEMBL9241732 0.71 ADK (0.48) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL20025521 0.71 ALDH1A1 (0.44) APPACACBALDH1A1TSHRALOX15
SCHEMBL8013623 0.68 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10GAAMEN1
SCHEMBL20001579 0.68 APP (0.44) APPACACBALDH1A1TSHRALOX15
SCHEMBL9131675 0.67 CHRM5 (0.47) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL20025519 0.67 ALDH1A1 (0.39) APPACACBALDH1A1TSHRALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477698-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES Centre National de la Recherche Scientifique (FR) 2012-07-25 EP disclosed
WO-2011033115-A2 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-03-24 WO disclosed